N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide

C16H18ClN3O — CID 38919428

IUPACN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1N(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-11(12-6-4-7-13(17)10-12)19-16(21)14-8-5-9-18-15(14)20(2)3/h4-11H,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyMWYYISYBGLJDMM-NSHDSACASA-N
MW303.79 g/mol
LogP3.29
Rot. Bonds4

About N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide

N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide (PubChem CID 38919428) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
PubChem CID38919428
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC NameN-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cccnc1N(C)C)c1cccc(Cl)c1
InChIInChI=1S/C16H18ClN3O/c1-11(12-6-4-7-13(17)10-12)19-16(21)14-8-5-9-18-15(14)20(2)3/h4-11H,1-3H3,(H,19,21)/t11-/m0/s1
InChIKeyMWYYISYBGLJDMM-NSHDSACASA-N
XLogP3.29
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 38920019
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
2-(dimethylamino)-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 38885280
N-[1-(3-chlorophenyl)ethyl]quinoline-5-carboxamide
CID 24605147
2-(dimethylamino)-N-[(1R)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 38915865
N-[(1S)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907997
N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907996
2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-(dimethylamino)benzamide
CID 27769378
N-(3,5-dichlorophenyl)-2-(dimethylamino)pyridine-3-carboxamide
CID 38887368
2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 60655016

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide (CID 38919428) is N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide is C[C@H](NC(=O)c1cccnc1N(C)C)c1cccc(Cl)c1.
What is the InChIKey of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is MWYYISYBGLJDMM-NSHDSACASA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(12-6-4-7-13(17)10-12)19-16(21)14-8-5-9-18-15(14)20(2)3/h4-11H,1-3H3,(H,19,21)/t11-/m0/s1.
What are the key properties of N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide?
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 303.79 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 38919428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).